SCHEMBL2587259

SCHEMBL2587259

COC(=O)c1cc(Cl)cc2c1c(C)cn2C(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
SERPINH1 P50454 1/20 0.36
ABL1 P00519 1/20 0.36
HTR3A P46098 3/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
ALDH1A1 P00352 3/20 0.34
USP2 O75604 1/20 0.34
KMT2A Q03164 3/20 0.34
POLB P06746 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
PPARG P37231 1/20 0.34
MEN1 O00255 2/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12180222 0.85 NOTUM (0.38) CA12CA1CA2CA9HTR3A
SCHEMBL2587361 0.84 CA12 (0.35) CA12CA1CA2CA9SLC6A3
SCHEMBL17970557 0.81 HTR3A (0.33) HTR3AALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL2592384 0.81 LMNA (0.38) CA12CA1CA2CA9ALDH1A1
SCHEMBL17065789 0.79 KDM4E (0.35) CA12CA1CA2CA9SERPINH1
SCHEMBL27979669 0.79 PDGFRB (0.33) CA12CA1CA2CA9ALDH1A1
SCHEMBL19621034 0.78 CA12 (0.32) CA12CA1CA2CA9ALDH1A1
SCHEMBL14917583 0.76 EZH2 (0.42) CA12CA1CA2CA9ALDH1A1
SCHEMBL14727079 0.76 EZH2 (0.40) ABL1KMT2AMAPTEZH2
SCHEMBL2592591 0.76 SERPINH1 (0.36) SERPINH1ABL1SLC6A4SLC6A3ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3246027-A1 INDOLE DERIVATIVES FOR THE TREATMENT OF CANCER GlaxoSmithKline LLC (US) 2017-11-22 EP disclosed
US-9649307-B2 Indoles GLAXOSMITHKLINE LLC (US) 2017-05-16 US disclosed
US-20160296518-A1 INDOLES GLAXOSMITHKLINE LLC 2016-10-13 US disclosed
US-9446041-B2 Method of treatment GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2016-09-20 US disclosed
EP-2773754-B1 Compounds for use in the treatment of T-cell mediated diseases GLAXOSMITHKLINE IP NO 2 LTD (GB) 2016-08-03 EP disclosed
US-9402836-B2 Indoles GLAXOSMITHKLINE LLC (US) 2016-08-02 US disclosed
US-20160074394-A1 METHOD OF TREATMENT GLAXOSMITHKLINE LLC 2016-03-17 US disclosed
US-9242962-B2 Method of treatment GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2016-01-26 US disclosed
US-20150313887-A1 INDOLES GLAXOSMITHKLINE LLC 2015-11-05 US disclosed
US-9114141-B2 Indoles GLAXOSMITHKLINE LLC (US) 2015-08-25 US disclosed
US-20150141436-A1 INDOLES KIDS2, INC. 2015-05-21 US disclosed
US-8975291-B2 Indoles GLAXOSMITHKLINE LLC (US) 2015-03-10 US disclosed
US-20140256739-A1 METHOD OF TREATMENT GLAXOSMITHKLINE LLC 2014-09-11 US disclosed
EP-2773754-A1 METHOD OF TREATMENT Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2014-09-10 EP disclosed
US-20130345200-A1 INDOLES GLAXOSMITHKLINE LLC (US) 2013-12-26 US disclosed
US-8536179-B2 Indoles GLAXOSMITHKLINE LLC (US) 2013-09-17 US disclosed
WO-2013067296-A1 METHOD OF TREATMENT GLAXOSMITHKLINE INTELLECTUAL PROPERTY (No 2) LIMITED (GB) 2013-05-10 WO disclosed
EP-2566327-A1 INDOLES GlaxoSmithKline LLC (US) 2013-03-13 EP disclosed
US-20130053397-A1 INDOLES GLAXOSMITHKLINE LLC 2013-02-28 US disclosed
WO-2011140324-A1 INDOLES GLAXOSMITHKLINE LLC (US) 2011-11-10 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160074394-A1 METHOD OF TREATMENT EZH1, EZH2, SUV39H2 CA12 1950/4885CA1 1923/4885CA2 884/4885
US-20150141436-A1 INDOLES IDO1, IDO2, INMT CA12 1249/4885CA1 3238/4885CA2 3232/4885
US-20140256739-A1 METHOD OF TREATMENT EZH1, EZH2, SUV39H2 CA12 1950/4885CA1 1923/4885CA2 884/4885
US-20150313887-A1 INDOLES IDO1, IDO2, INMT CA12 1249/4885CA1 3238/4885CA2 3232/4885
US-20130345200-A1 INDOLES IDO1, IDO2, INMT CA12 1249/4885CA1 3238/4885CA2 3232/4885
US-20130053397-A1 INDOLES IDO1, IDO2, INMT CA12 1121/4885CA1 3260/4885CA2 3229/4885
US-20160296518-A1 INDOLES IDO1, IDO2, INMT CA12 1249/4885CA1 3238/4885CA2 3232/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.